Information card for entry 7106031

Structure parameters

• Formula: C90 H84 B Cl F24 Ir2 N4
• Calculated formula: C90 H84 B Cl F24 Ir2 N4
• Title of publication: Responses to unsaturation in iridium mono(N-heterocyclic carbene) complexes: synthesis and oligomerization of [LIr(H)2Cl] and [LIr(H)2]+
• Authors of publication: Christina Y. Tang; Jan Lednik; Dragoslav Vidovic; Amber L. Thompson; Simon Aldridge
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 2523
• a: 15.333 ± 0.003 Å
• b: 15.589 ± 0.003 Å
• c: 19.855 ± 0.004 Å
• α: 94.97 ± 0.03°
• β: 110.9 ± 0.03°
• γ: 94.15 ± 0.03°
• Cell volume: 4389.7 ± 1.8 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0837
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for all reflections: 0.1206
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No